Selectivity-based QSAR approach for screening and evaluation of TRH analogs for TRH-R1 and TRH-R2 receptors subtypes.

Rameshwar U Kadam, Archana G Chavan, Vikramdeep Monga, Navneet Kaur, Rahul Jain, Nilanjan Roy

Centre of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S. Nagar 160062, Punjab, India.

Journal of molecular graphics & modelling 2008 Oct

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Design and development of therapeutically useful CNS selective thyrotropin-releasing hormone (TRH) analogs acting on TRH-R2 receptor subtype, exerting weak or no TRH-R1-mediated TSH-releasing side effects has gained imagination of researchers in the recent past. The present study reports the development and implementation of a selectivity-based QSAR approach for screening selective agonists of TRH-R2 receptor subtype. The statistically significant predictive models were thoroughly validated using an external validation set whose activity was previously unknown. The model was able to predict preference for either of the receptor subtypes successfully.

Citation

Rameshwar U Kadam, Archana G Chavan, Vikramdeep Monga, Navneet Kaur, Rahul Jain, Nilanjan Roy. Selectivity-based QSAR approach for screening and evaluation of TRH analogs for TRH-R1 and TRH-R2 receptors subtypes. Journal of molecular graphics & modelling. 2008 Oct;27(3):309-20